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SMILES: CC(C)CNc1nc(cn2c(cnc12)-c1ccc(C(=O)NC2CC2)c(C)c1)C#CCO

InChI Key: InChIKey=JPPWNRNUVNDHIA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 194311   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dual specificity protein kinase TTK


(Homo sapiens (Human))		BDBM194311
PNG
(US9199999, 49)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(C(=O)NC2CC2)c(C)c1)C#CCO
Show InChI InChI=1S/C24H27N5O2/c1-15(2)12-25-22-23-26-13-21(29(23)14-19(27-22)5-4-10-30)17-6-9-20(16(3)11-17)24(31)28-18-7-8-18/h6,9,11,13-15,18,30H,7-8,10,12H2,1-3H3,(H,25,27)(H,28,31)
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MMDB

KEGG

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Similars
US Patent
n/an/a 14n/an/an/an/a7.722



Bayer Intellectual Property GmbH

US Patent


Assay Description
N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...

US Patent US9199999 (2015)


BindingDB Entry DOI: 10.7270/Q2348J68
More data for this
Ligand-Target Pair